(-)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane (Q27139027)

CHEBI:70696 (English)

(+)-(3R)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₅

1 reference

CHEBI:70696 (English)

7 October 2016

canonical SMILES

CC(=O)OC(CCCCC1=CC=C(C=C1)O)CCC2=CC(=C(C=C2)O)O

1 reference

CHEBI:70696 (English)

7 October 2016

isomeric SMILES

CC(=O)O[C@@H](CCCCC1=CC=C(C=C1)O)CCC2=CC(=C(C=C2)O)O

1 reference

Diarylheptanoids from the Rhizomes of Curcuma kwangsiensis

CHEBI:70696 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C21H26O5/c1-15(22)26-19(12-8-17-9-13-20(24)21(25)14-17)5-3-2-4-16-6-10-18(23)11-7-16/h6-7,9-11,13-14,19,23-25H,2-5,8,12H2,1H3/t19-/m0/s1

1 reference

CHEBI:70696 (English)

FNZIZWQXFYAOOE-IBGZPJMESA-N

7 October 2016

InChIKey

2 references

CHEBI:70696 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3S)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-3-heptanyl acetate (English)

7 October 2016

2 references

CHEBI:70696 (English)

matched by identifier from

7 October 2016

InChIKey

FNZIZWQXFYAOOE-IBGZPJMESA-N

Reaxys registry number

21038435

1 reference

(-)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane (English)

7 October 2016

ChEBI ID

70696

mapping relation type

2 references

(-)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H26O5/c1-15(22)26-19(12-8-17-9-13-20(24)21(25)14-17)5-3-2-4-16-6-10-18(23)11-7-16/h6-7,9-11,13-14,19,23-25H,2-5,8,12H2,1H3/t19-/m0/s1

1 reference